Difference between revisions of "CPD-14273"

Latest revision as of 11:14, 18 March 2021

common-name:
- 3-oxo-lignoceroyl-coa
smiles:
- cccccccccccccccccccccc(=o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
inchi-key:
- jjsjtiwfknschc-jbkavqfisa-j
molecular-weight:
- 1128.113

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-10283 ==
+== Metabolite CPD-14273 ==
 * common-name:
-** 3-oxo-behenoyl-coa
+** 3-oxo-lignoceroyl-coa
 * smiles:
-** cccccccccccccccccccc(=o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
+** cccccccccccccccccccccc(=o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
 * inchi-key:
-** rkcogguhkptoqj-gnsuaqhmsa-j
+** jjsjtiwfknschc-jbkavqfisa-j
 * molecular-weight:
-** 1100.059
+** 1128.113
 == Reaction(s) known to consume the compound ==
-* [[RXN-13299]]
+* [[RXN-13300]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-13295]]
+* [[RXN-13297]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-oxo-behenoyl-coa}}
+{{#set: common-name=3-oxo-lignoceroyl-coa}}
-{{#set: inchi-key=inchikey=rkcogguhkptoqj-gnsuaqhmsa-j}}
+{{#set: inchi-key=inchikey=jjsjtiwfknschc-jbkavqfisa-j}}
-{{#set: molecular-weight=1100.059}}
+{{#set: molecular-weight=1128.113}}